Information card for entry 7005619

Structure parameters

• Formula: C88 H90 F12 N8 O15.25 P4 Pd2 S4
• Calculated formula: C88 H90 F12 N8 O15.25 P4 Pd2 S4
• Title of publication: Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands.
• Authors of publication: Diaz, Pilar; Tovilla, Jorge A.; Ballester, Pablo; Benet-Buchholz, Jordi; Vilar, Ramón
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3516 - 3525
• a: 18.6063 ± 0.0011 Å
• b: 21.5364 ± 0.0013 Å
• c: 27.1103 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10863.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No